이름: 2-(3-cyano-2-methyl-1-isothioureido)propiophenone
SMILES:
CSC(=NC#N)NC(C)C(=O)c1ccccc1Molecular Processing
Molecular formula
C12H13N3OS
Molecular weight
247.32
Exact mass
247.0779
XLogP
2.05
TPSA
65.25
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
69.93
Supplementary Information
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